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Molecule
Heptaethylene Glycol Dodecyl Ether
CAS: 3055-97-8 · C26H54O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3055-97-8
- Molecular Formula
- C26H54O8
- Molecular Mass
- 494.71 g/mol
Identifiers
CAS Registry Number
3055-97-8
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
InChI Key
DWHIUNMOTRUVPG-UHFFFAOYSA-N
InChI
InChI=1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3
Names and Synonyms
- Heptaethylene Glycol Dodecyl Ether Synonym
- 3,6,9,12,15,18,21-Heptaoxatritriacontan-1-ol Synonym
- Ethanol, 2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]- Synonym
- Heptaethylene glycol, monododecyl ether Synonym
- Heptaethyleneglycol monolauryl ether Synonym
- Heptaethylene glycol dodecyl ether Synonym
- Dodecanol heptaethoxy ether Synonym
- AEO 7 Synonym
- C12E7 Synonym
- C12EO7 Synonym
- Heptaethylene glycol n-dodecyl ether Synonym
- Mergital LT 7 Synonym
- Nikkol BL 7SY Synonym
- Rhodasurf LA-7 Synonym
- Pingpingjia 7 Synonym
- LAE 7 Synonym
- 2-[2-[2-[2-[2-[2-(2-Dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 494.71 g/mol | CAS Common Chemistry |
| 494.7100000000005 g/mol | RDKit | |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DWHIUNMOTRUVPG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 27.8-28.1 °C | CAS Common Chemistry |
| Name | Heptaethylene glycol dodecyl ether | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 31 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 84.84000000000002 Ų | RDKit |
| 84.84 Ų | RDKit | |
| LogP | 4.015800000000003 | RDKit |
| 4.0158 | RDKit | |
| Molar Refractivity | 134.66280000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 494.3818686879998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 494.71 g/mol. Edit any field — others recompute live.
